CAS RN: 146285-80-5
(3-AMINOMETHYLPHENYL)BORONIC ACID HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS146285-80-5
- Purity/Analytical Methods: >99.0%
146285-80-5 / [3-(aminomethyl)phenyl]boronic acid
Basic Information
CAS
146285-80-5
Multi CAS
No
Molecular Formula
C7H10BNO2
Molecular Weight
150.970000
Exact Mass
151.080459
SMILES
B(C1=CC(=CC=C1)CN)(O)O
InChI
InChI=1S/C7H10BNO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H,5,9H2
InChIKey
YWZCOYQPEZBEOE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
44.16
TPSA
66.48
LogP / Solubility
WLOGP
-1.17
MLOGP
-1.04
XLogP3
-1.17
Consensus LogP
-1.13
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.09
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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